U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H7ClN2O3
Molecular Weight 238.627
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid

SMILES

OC(=O)C1=NN(C(=O)C1)C2=C(Cl)C=CC=C2

InChI

InChIKey=CXGIZOHEERRFKI-UHFFFAOYSA-N
InChI=1S/C10H7ClN2O3/c11-6-3-1-2-4-8(6)13-9(14)5-7(12-13)10(15)16/h1-4H,5H2,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-(2-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
Systematic Name English
1H-Pyrazole-3-carboxylic acid, 1-(2-chlorophenyl)-4,5-dihydro-5-oxo-
Preferred Name English
Code System Code Type Description
CAS
72460-46-9
Created by admin on Wed Apr 02 09:21:10 GMT 2025 , Edited by admin on Wed Apr 02 09:21:10 GMT 2025
PRIMARY
PUBCHEM
3018344
Created by admin on Wed Apr 02 09:21:10 GMT 2025 , Edited by admin on Wed Apr 02 09:21:10 GMT 2025
PRIMARY
FDA UNII
2YKG945APH
Created by admin on Wed Apr 02 09:21:10 GMT 2025 , Edited by admin on Wed Apr 02 09:21:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID20993263
Created by admin on Wed Apr 02 09:21:10 GMT 2025 , Edited by admin on Wed Apr 02 09:21:10 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966